N-(1,3-benzodioxol-5-ylmethyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-piperonyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20F3N3O3S/c1-2-7-27-16-9-14(21(22,23)24)4-5-15(16)26-20(27)31-11-19(28)25-10-13-3-6-17-18(8-13)30-12-29-17/h3-6,8-9H,2,7,10-12H2,1H3,(H,25,28)